Compound Detail
CHEMBL1169558
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Basic Information
| ChEMBL ID | CHEMBL1169558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBDAWMSBMQBJRA-SDDRHHMPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
-0.42
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Ki 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| IAG-nucleoside hydrolase CHEMBL6134 | Ki | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of Penicillium decumbens alpha-L-rhamnosidase | 27789075 |
| IAG-nucleoside hydrolase | Ki | = | 59000.0 | nM | 4.23 | Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase expressed in Escherichi... | 17582660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17582660 | 10.1016/j.ejmech.2007.03.027 | IAG-nucleoside hydrolase | 1 |
| 27789075 | 10.1016/j.bmc.2016.10.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine